RefChem:331910
TL;DR: RefChem:331910 (CAS 113873-72-6) is a chemical compound with molecular formula C21H35ClN2O3 and molecular weight 398.2336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-[(dimethylamino)methyl]cyclohexyl] N-(2-pentoxyphenyl)carbamate;hydrochloride
Also Known As: Carbamic acid, (2-(pentyloxy)phenyl)-, 1-((dimethylamino)methyl)cyclohexyl ester, monohydrochloride, N-(2-Pentyloxy)carbamic acid 1-((dimethylamino)methyl)cyclohexyl ester hydrochloride, [1-(dimethylaminomethyl)cyclohexyl] N-(2-pentoxyphenyl)carbamate hydrochloride, 1-[(Dimethylamino)methyl]cyclohexyl [2-(pentyloxy)phenyl]carbamate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C21H35ClN2O3 |
| Molecular Weight | 398.2336 g/mol |
| XLogP | 5.4904 |
| Topological Polar Surface Area (TPSA) | 50.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 398.2336 Da |
| Heavy Atoms | 27 |
| Complexity | 408.0 |
| SMILES | CCCCCOC1=CC=CC=C1NC(=O)OC2(CCCCC2)CN(C)C.Cl |
| InChIKey | JVXRYSWQUVDPKP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:331910
Property Insights of RefChem:331910
The XLogP value of 5.4904 indicates that RefChem:331910 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, RefChem:331910 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:331910 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:331910?
The CAS number of RefChem:331910 is 113873-72-6.
What is the molecular formula of RefChem:331910?
The molecular formula of RefChem:331910 is C21H35ClN2O3.
What is the molecular weight of RefChem:331910?
The molecular weight of RefChem:331910 is 398.2336 g/mol.
Where can I buy RefChem:331910?
You can request a quote for RefChem:331910 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:331910?
Yes, CoreyChem provides custom synthesis services for RefChem:331910 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.